[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H20N2O3/c21-13-6-14-22-19(23)15-25-20(24)18-10-5-4-9-17(18)12-11-16-7-2-1-3-8-16/h1-5,7-10H,6,11-12,14-15H2,(H,22,23)